org.jmol.api
Interface SmilesMatcherInterface
- All Known Implementing Classes:
- SmilesMatcher
public interface SmilesMatcherInterface
Method Summary |
int |
areEqual(java.lang.String smiles1,
java.lang.String smiles2)
|
java.util.BitSet[] |
find(java.lang.String pattern,
java.lang.String smiles,
boolean isSmarts,
boolean firstMatchOnly)
|
int[][] |
getCorrelationMaps(java.lang.String pattern,
JmolNode[] atoms,
int atomCount,
java.util.BitSet bsSelected,
boolean isSmarts,
boolean firstMatchOnly)
|
java.lang.String |
getLastException()
|
java.lang.String |
getMolecularFormula(java.lang.String pattern,
boolean isSearch)
|
java.lang.String |
getSmiles(JmolNode[] atoms,
int atomCount,
java.util.BitSet bsSelected,
boolean asBioSmiles,
boolean allowUnmatchedRings,
boolean addCrossLinks,
java.lang.String comment)
|
java.util.BitSet |
getSubstructureSet(java.lang.String pattern,
JmolNode[] atoms,
int atomCount,
java.util.BitSet bsSelected,
boolean isSmarts,
boolean firstMatchOnly)
|
java.util.BitSet[] |
getSubstructureSetArray(java.lang.String pattern,
JmolNode[] atoms,
int atomCount,
java.util.BitSet bsSelected,
java.util.BitSet bsAromatic,
boolean isSmarts,
boolean firstMatchOnly)
|
getLastException
java.lang.String getLastException()
areEqual
int areEqual(java.lang.String smiles1,
java.lang.String smiles2)
find
java.util.BitSet[] find(java.lang.String pattern,
java.lang.String smiles,
boolean isSmarts,
boolean firstMatchOnly)
getSubstructureSet
java.util.BitSet getSubstructureSet(java.lang.String pattern,
JmolNode[] atoms,
int atomCount,
java.util.BitSet bsSelected,
boolean isSmarts,
boolean firstMatchOnly)
getSubstructureSetArray
java.util.BitSet[] getSubstructureSetArray(java.lang.String pattern,
JmolNode[] atoms,
int atomCount,
java.util.BitSet bsSelected,
java.util.BitSet bsAromatic,
boolean isSmarts,
boolean firstMatchOnly)
getCorrelationMaps
int[][] getCorrelationMaps(java.lang.String pattern,
JmolNode[] atoms,
int atomCount,
java.util.BitSet bsSelected,
boolean isSmarts,
boolean firstMatchOnly)
getMolecularFormula
java.lang.String getMolecularFormula(java.lang.String pattern,
boolean isSearch)
getSmiles
java.lang.String getSmiles(JmolNode[] atoms,
int atomCount,
java.util.BitSet bsSelected,
boolean asBioSmiles,
boolean allowUnmatchedRings,
boolean addCrossLinks,
java.lang.String comment)